[2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] 2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] 2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-oxo-3-(1,3,3-trimethylindolin-2-ylidene)propyl] 2-[(3-methylbenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(3-methylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-oxo-3-(1,3,3-trimethyl-2-indolylidene)propyl] ester IUPAC Name: [2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-(m-toluoylamino)butyric acid [2-keto-3-(1,3,3-trimethylindolin-2-ylidene)propyl] ester Formula: C27H32N2O4S MolecularWeight: 480.61898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(CCSC)C(=O)OCC(=O)C=C2C(C3=CC=CC=C3N2C)(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(CCSC)C(=O)OCC(=O)C=C2C(C3=CC=CC=C3N2C)(C)C

InChI

InChI=1S/C27H32N2O4S/c1-18-9-8-10-19(15-18)25(31)28-22(13-14-34-5)26(32)33-17-20(30)16-24-27(2,3)21-11-6-7-12-23(21)29(24)4/h6-12,15-16,22H,13-14,17H2,1-5H3,(H,28,31)